(1-aminocyclopropyl)-[4-(trifluoromethyl)phenyl]methanone

C11H10F3NO — CID 116576679

IUPAC(1-aminocyclopropyl)-[4-(trifluoromethyl)phenyl]methanone
SMILESNC1(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C11H10F3NO/c12-11(13,14)8-3-1-7(2-4-8)9(16)10(15)5-6-10/h1-4H,5-6,15H2
InChIKeyPUEHCJQXCNBYAN-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.38
Rot. Bonds2

About (1-aminocyclopropyl)-[4-(trifluoromethyl)phenyl]methanone

(1-aminocyclopropyl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 116576679) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID116576679
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name(1-aminocyclopropyl)-[4-(trifluoromethyl)phenyl]methanone
SMILESNC1(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C11H10F3NO/c12-11(13,14)8-3-1-7(2-4-8)9(16)10(15)5-6-10/h1-4H,5-6,15H2
InChIKeyPUEHCJQXCNBYAN-UHFFFAOYSA-N
XLogP2.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-aminocyclopropyl)-(4-sulfanylphenyl)methanone
CID 170744345
1-amino-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 65466760
(1-methylcyclohexyl)-[4-(trifluoromethyl)phenyl]methanone
CID 106829569
[4-(trifluoromethyl)benzoyl]azanium
CID 153171776
1-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119280379
4-fluoro-4-[4-(trifluoromethyl)benzoyl]piperidine-1-carbaldehyde
CID 166170822
[3-(hydroxymethyl)oxetan-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 116996913
1-[[4-(trifluoromethyl)benzoyl]amino]cyclopropane-1-carboxylic acid
CID 65451385
amino 4-(trifluoromethyl)benzoate
CID 23201930
(1-aminocyclopentyl)-(4-phenylphenyl)methanone
CID 116558729
[1-(1,2,4-triazol-1-yl)cyclopropyl]-[4-(trifluoromethyl)phenyl]methanone
CID 22369153
1-[4-[4-(trifluoromethyl)benzoyl]phenoxy]cyclopropane-1-carboxylic acid
CID 156775962

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (1-aminocyclopropyl)-[4-(trifluoromethyl)phenyl]methanone (CID 116576679) is (1-aminocyclopropyl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (1-aminocyclopropyl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (1-aminocyclopropyl)-[4-(trifluoromethyl)phenyl]methanone is NC1(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of (1-aminocyclopropyl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is PUEHCJQXCNBYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c12-11(13,14)8-3-1-7(2-4-8)9(16)10(15)5-6-10/h1-4H,5-6,15H2.
What are the key properties of (1-aminocyclopropyl)-[4-(trifluoromethyl)phenyl]methanone?
(1-aminocyclopropyl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 229.20 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 116576679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).